Struct GpuMdAtom

Source

pub struct GpuMdAtom {
    pub pos: [f32; 3],
    pub vel: [f32; 3],
    pub force: [f32; 3],
    pub mass: f32,
    pub charge: f32,
}

Expand description

A single MD atom stored in the GPU buffer.

Fields§

§pos: [f32; 3]

Atom position [x, y, z] in Angstroms.

§vel: [f32; 3]

Atom velocity [vx, vy, vz] in Å/ps.

§force: [f32; 3]

Current force on atom [fx, fy, fz] in kJ/(mol·Å).

§mass: f32

Atom mass in atomic mass units (amu).

§charge: f32

Partial charge in elementary charge units.

Trait Implementations§

Source §

impl Clone for GpuMdAtom

Source §

fn clone(&self) -> GpuMdAtom

Returns a duplicate of the value. Read more

1.0.0 (const: unstable) · Source§

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source. Read more

Source §

impl Debug for GpuMdAtom

Source §

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter. Read more

Source §

impl PartialEq for GpuMdAtom

Source §

fn eq(&self, other: &GpuMdAtom) -> bool

Tests for self and other values to be equal, and is used by ==.

1.0.0 (const: unstable) · Source§

fn ne(&self, other: &Rhs) -> bool

Tests for !=. The default implementation is almost always sufficient, and should not be overridden without very good reason.

Source §

impl Copy for GpuMdAtom

Source §

impl StructuralPartialEq for GpuMdAtom

Auto Trait Implementations§

§

impl UnwindSafe for GpuMdAtom

Blanket Implementations§

Source §

impl<T> Any for T
where T: 'static + ?Sized,

Source §

fn type_id(&self) -> TypeId

Gets the TypeId of self. Read more

Source §

impl<T> Borrow<T> for T
where T: ?Sized,

Source §

fn borrow(&self) -> &T

Immutably borrows from an owned value. Read more

Source §

impl<T> BorrowMut<T> for T
where T: ?Sized,

Source §

fn borrow_mut(&mut self) -> &mut T

Mutably borrows from an owned value. Read more

Source §

impl<T> CloneToUninit for T
where T: Clone,

Source §

unsafe fn clone_to_uninit(&self, dest: *mut u8)

🔬This is a nightly-only experimental API. (clone_to_uninit)

Performs copy-assignment from self to dest. Read more

Source §

impl<T> Downcast<T> for T

Source §

fn downcast(&self) -> &T

Source §

impl<T> From<T> for T

Source §

fn from(t: T) -> T

Returns the argument unchanged.

Source §

impl<T, U> Into for T
where U: From<T>,

Source §

fn into(self) -> U

Calls U::from(self).

That is, this conversion is whatever the implementation of From<T> for U chooses to do.

Source §

impl<T> IntoEither for T

Source §

fn into_either(self, into_left: bool) -> Either<Self, Self>

Converts self into a Left variant of Either<Self, Self> if into_left is true. Converts self into a Right variant of Either<Self, Self> otherwise. Read more

Source §

fn into_either_with<F>(self, into_left: F) -> Either<Self, Self>
where F: FnOnce(&Self) -> bool,

Converts self into a Left variant of Either<Self, Self> if into_left(&self) returns true. Converts self into a Right variant of Either<Self, Self> otherwise. Read more

Source §